(o-Hydroxyphenoxy)acetic acid

HCID 22783

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Grundinformationen

CAS: 6324-11-4
Standard-SMILES: O=C(O)COc1ccccc1O
InChIKey: LPXHPAYRONCQIF-UHFFFAOYSA-N
Summenformel: C8H8O4
Durchschnittliche Molmasse: 168,15 g/mol
Monoisotopische Masse: 168,04225873

Namen und Bezeichner

Bevorzugter Name: (o-Hydroxyphenoxy)acetic acid
IUPAC: 2-(2-hydroxyphenoxy)acetic acid
Englischer Name: 2-HYDROXYPHENOXYACETIC ACID
Summenformel: C8H8O4
Molmasse: 168.15

Namen und Synonyme

2-(2-hydroxyphenoxy)acetic acid6324-11-4(o-Hydroxyphenoxy)acetic acidDTXSID80212629EINECS 228-684-8NSC 30092RefChem:406712DTXCID60135120228-684-8InChI=1/C8H8O4/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4,9H,5H2,(H,10,112-Hydroxyphenoxyacetic Acid(2-Hydroxyphenoxy)acetic acid

Weitere Namen anzeigen

2-Hydroxyphenoxyacetic acid, 98+%Acetic acid, 2-?(2-?hydroxyphenoxy)?-

MFCD00015454acetic acid, 2-(2-hydroxyphenoxy)-NSC-30092Acetic acid, (hydroxyphenoxy)-2-(Hydroxyphenoxy)acetic acidEnamine_0047112-(carboxymethoxy)phenolB68RKX6TNJ

Datenbank-Bezeichner

CAS: 6324-11-4
PubChem CID: 22783
DTXSID: DTXSID80212629
ChEMBL: CHEMBL1604900
UNII: B68RKX6TNJ
EC Number: 228-684-8
Nikkaji: J265.555A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 66,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 157

Physikochemische Eigenschaften

Schmelzpunkt: 138 · 138-141 °C(lit.)
BRN: 1948566 · 1948566
CAS Datenbank: 6324 · 6324-11-4

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.